Basic information
- CAS
56630-37-6- Standard SMILES
CCCCCCCCC1OC1CCCCCCCC(=O)N1CCCC1- InChIKey
DUDNHPSYIYFCMF-UHFFFAOYSA-N- Molecular formula
- C22H41NO2
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 351.31372955
Names & identifiers
- Preferred name
- 1-[8-(3-Octyl-2-oxiranyl)octanoyl]pyrrolidine
- IUPAC
- 8-(3-octyloxiran-2-yl)-1-pyrrolidin-1-yloctan-1-one
- English name
- 1-[8-(3-Octyloxiran-2-yl)octanoyl]pyrrolidine
- Molecular formula
- C22H41NO2
- Molecular weight
- 351.57
Names & synonyms
56630-37-61-[8-(3-Octyl-2-oxiranyl)octanoyl]pyrrolidine8-(3-octyloxiran-2-yl)-1-(pyrrolidin-1-yl)octan-1-oneDTXSID20339728DB-3227581-[8-(3-OCTYLOXIRAN-2-YL)OCTANOYL ]PYRROLIDINE1-[8-(3-Octyloxiran-2-yl)octanoyl]pyrrolidine1-Octanone, 8-(3-octyl-2-oxiranyl)-1-(1-pyrrolidinyl)-
Database identifiers
- CAS
56630-37-6- PubChem CID
- 558103
- DTXSID
DTXSID20339728- Nikkaji
- J108.624C
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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